403-01-0

Basic information

• Product Name: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER
• Synonyms: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER;METHYL 3-FLUORO-4-HYDROXYBENZOATE;RARECHEM AL BF 0259;Fluoro-4-hydroxybenzoate
• CAS NO: 403-01-0
• Molecular Formula: C₈H₇FO₃
• Molecular Weight: 170.14
• Product Categories: blocks;Carboxes;FluoroCompounds;pharmacetical
• Mol File: 403-01-0.mol
• Article Data: 25

Chemical Properties

• Melting Point: 91-93℃
• Boiling Point: 259.9±25.0℃ (760 Torr)
• Flash Point: 111.0±23.2℃
• Appearance: /Solid
• Density: 1.309±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.0078mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 7.10±0.18(Predicted)
• CAS DataBase Reference: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER(403-01-0)
• EPA Substance Registry System: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER(403-01-0)

Safety Data

• Hazardous Substances Data: 403-01-0(Hazardous Substances Data)

Usage

General Description

3-Fluoro-4-hydroxy-benzoic acid methyl ester is a chemical compound with the molecular formula C8H7FO3. It is a methyl ester derivative of 3-fluoro-4-hydroxybenzoic acid, which is a drug intermediate used in the synthesis of pharmaceuticals. 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER is commonly used in the pharmaceutical industry due to its potential therapeutic properties, such as anti-inflammatory and analgesic effects. It is also used as a building block in the synthesis of various pharmaceutical compounds. However, it is important to handle this chemical with caution as it may pose health and environmental risks if not properly managed.

InChI:InChI=1/C8H7FO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3

Upstream product

• 403-20-3 3-fluoro-p-anisic acid 
• 67-56-1 methanol 
• 350-29-8 3-fluoro-4-hydroxybenzoic acid 
• 603122-79-8 methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
• 71-36-3 butan-1-ol 
• 455-68-5 methyl 3-fluorobenzoate 
• 65145-13-3 2-fluoro-4-hydroxybenzoic acid 
• 849758-12-9 methyl 4-bromo-3-fluorobenzoate 
• 107-06-2 1,2-dichloro-ethane 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 18107-18-1 diazomethyl-trimethyl-silane 

Downstream Products

• 39635-02-4 3-fluoro-4-hydroxybenzoic acid hydrazide 
• 445019-48-7 methyl 5-bromo-3-fluoro-4-hydroxybenzoate 
• 386213-21-4 4-(2-bromo-ethoxy)-3-fluoro-benzoic acid methyl ester 
• 183664-17-7 4-(4-Butylcarbamoyl-benzyloxy)-3-fluoro-benzoic acid methyl ester 
• 1346498-59-6 methyl 4-(isopropyloxy)-3-fluorobenzoate 
• 5710-64-5 4-ethoxy-3-fluorobenzoic acid 
• 1142228-10-1 methyl 3-(5,5-dimethyI-1-cyclopenten-1-yl)-5-fluoro-4-(((4-(methyloxy)phenyl)methyl)oxy)benzoate 
• 1142228-16-7 methyl 2-(5,5-dimethyl-1-cyclopenten-1-yl)-2',6-difluoro-5'-(methyloxy)-1,1'-biphenyl-4-carboxylate 
• 1142228-14-5 methyl 3-(5,5-dimethyl-1-cyclopenten-1-yl)-5-fluoro-4-(((trifluoromethyl)sulfonyl)oxy)benzoate 
• 1142228-08-7 methyl 3-bromo-5-fluoro-4-(((4-(methyloxy)phenyl)methyl)oxy)benzoate 
• 1142228-13-4 methyl 3-(5,5-dimethyI-1-cyclopenten-1-yl)-5-fluoro-4-hydroxybenzoate 

Relevant articles and documents

Sequential Ir/Cu-Mediated Method for the Meta-Selective C-H Radiofluorination of (Hetero)Arenes

This article describes a sequential Ir/Cu-mediated process for the meta-selective C-H radiofluorination of (hetero)arene substrates. In the first step, Ir-catalyzed C(sp2)-H borylation affords (hetero)aryl pinacolboronate (BPin) esters. The intermediate organoboronates are then directly subjected to copper-mediated radiofluorination with [18F]tetrabutylammonium fluoride to afford fluorine-18 labeled (hetero)arenes in high radiochemical yield and radiochemical purity. This entire process is performed on a benchtop without Schlenk or glovebox techniques and circumvents the need to isolate (hetero)aryl boronate esters. The reaction was automated on a TracerLab FXFN module with 1,3-dimethoxybenzene and a meta-tyrosine derivative. The products, [18F]1-fluoro-3,5-dimethoxybenzene and an 18F-labeled meta-tyrosine derivative, were obtained in 37 ± 5% isolated radiochemical yield and >99% radiochemical purity and 25% isolated radiochemical yield and 99% radiochemical purity, and 0.52 Ci/μmol (19.24 GBq/μmol) molar activity (Am), respectively.

Phenol compound ortho-position direct fluorination method

The invention relates to a phenol compound ortho-position direct fluorination method which comprises the following steps: reacting a phenol compound shown in a formula (1A) with a fluorination reagentin a solvent under the action of a photocatalyst and a light source at room temperature, and separating and purifying a reaction mixture after the reaction to obtain a fluorinated phenol compound shown in a formula (2A). The advantages are as follows: the method for directly fluorinating phenol by organic photocatalysis is simple in operation process; raw materials are commercialized and easy toobtain; the photocatalyst is low in price, easy to obtain and environmentally friendly; the reaction condition is mild; the site selectivity is high; the reaction is efficient; and a fluorinated phenol derivative can be prepared only through one step.

Photoinduced Hydroxylation of Organic Halides under Mild Conditions

Presented in this paper is photoinduced hydroxylation of organic halides, providing a mild access to a range of functionalized phenols and aliphatic alcohols. These reactions generally proceed under mild reaction conditions with no need for a photocatalyst or a strong base and show a wide substrate scope as well as excellent functional group tolerance. This work highlights the unique role of NaI that allows a challenging transformation to proceed under mild reaction conditions.